2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine

C12H16N4 — CID 63730686

IUPAC2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC(C)CN
InChIInChI=1S/C12H16N4/c1-8(7-13)14-12-9(2)15-10-5-3-4-6-11(10)16-12/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyPPBSCIJUFUHZOW-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.70
Rot. Bonds3

About 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine

2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine (PubChem CID 63730686) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
PubChem CID63730686
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC(C)CN
InChIInChI=1S/C12H16N4/c1-8(7-13)14-12-9(2)15-10-5-3-4-6-11(10)16-12/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyPPBSCIJUFUHZOW-UHFFFAOYSA-N
XLogP1.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine (CID 63730686) is 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine is Cc1nc2ccccc2nc1NC(C)CN.
What is the InChIKey of 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
The InChIKey is PPBSCIJUFUHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(7-13)14-12-9(2)15-10-5-3-4-6-11(10)16-12/h3-6,8H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine?
2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63730686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).